(phenylmethyl) 4-[3-(6-morpholin-4-yl-4-oxidanylidene-thiopyran-2-yl)phenyl]benzoate

Systemtic Name: (phenylmethyl) 4-[3-(6-morpholin-4-yl-4-oxidanylidene-thiopyran-2-yl)phenyl]benzoate Openeye Name: benzyl 4-[3-(6-morpholino-4-oxo-thiopyran-2-yl)phenyl]benzoate CAS Name: 4-[3-[6-(4-morpholinyl)-4-oxo-2-thiopyranyl]phenyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(6-morpholin-4-yl-4-oxothiopyran-2-yl)phenyl]benzoate Traditional Name: 4-[3-(4-keto-6-morpholino-thiopyran-2-yl)phenyl]benzoic acid benzyl ester Formula: C29H25NO4S MolecularWeight: 483.5781

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=O)C=C(S2)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=CC(=O)C=C(S2)C3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H25NO4S/c31-26-18-27(35-28(19-26)30-13-15-33-16-14-30)25-8-4-7-24(17-25)22-9-11-23(12-10-22)29(32)34-20-21-5-2-1-3-6-21/h1-12,17-19H,13-16,20H2